>compound Syringaldehyde_Syringaldehyde
#instrument UPLC Q-Tof Premier, Waters
>formula C9H10O4
#smiles O=Cc(c1)cc(OC)c(O)c(OC)1
#RECORD LC-ESI-QTOF_train_data/PR100983.txt;LC-ESI-QTOF_train_data/PR101041.txt
>charge -1
>ionization [M-H]-
>parentmass 181.05009

>collision 5-60
123.0081 114.2
151.0027 263.3
166.0263 268.6
181.0501 100.4

>collision 5-60
65.0416 56.36
67.0571 44.28
77.0406 412.6
79.0206 7.43
80.0284 20.4
93.0355 32.39
95.0504 473.4
96.9401 11.41
97.03 38.02
97.9451 8.936
97.9704 62.85
99.5116 9.668
99.9731 5.592
100.5083 6.073
107.0159 6.281
110.0361 8.291
111.0447 6.127
114.9513 9.349
123.045 529.0
125.0241 83.16
137.968 12.73
140.0477 223.0
141.9553 20.85
155.0713 221.1
183.0657 141.8

